didodecyl 4,5-dicyanophthalate | 1030871-36-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: didodecyl 4,5-dicyanophthalate
• 英文别名: Didodecyl 4,5-dicyanobenzene-1,2-dicarboxylate；didodecyl 4,5-dicyanobenzene-1,2-dicarboxylate
• CAS: 1030871-36-3
• 化学式: C₃₄H₅₂N₂O₄
• 分子量: 552.798
• InChiKey: YJOFFMIPABIYOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  40
• 可旋转键数：
  26
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  didodecyl 4,5-dichlorophthalate 、 氰化锌 在 1,1'-双(二苯基膦)二茂铁 、 tris-(dibenzylideneacetone)dipalladium(0) 锌 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 以72%的产率得到didodecyl 4,5-dicyanophthalate
  参考文献：
  名称：

  Ester-functionalized phthalonitriles and zinc phthalocyanines via palladium-catalyzed cyanation of 4,5-dichlorophthalates

  摘要：

  Dicyanophthalates 3 were synthesized via Pd-catalyzed two-fold cyanation of the corresponding 4,5-dichlorophthalates with Zn(CN)(2), Appropriate modification of reaction conditions allowed one-pot synthesis of the corresponding zinc phthalocyanines 7 bearing eight peripheral alkyl ester groups. Powder X-ray diffraction study of a mesogenic zinc phthalocyanine bearing branched alkyl substituents revealed a rare case of a transition between two columnar rectangular liquid crystalline mesophases with different symmetry. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.03.004

文献信息

• Ester-functionalized phthalonitriles and zinc phthalocyanines via palladium-catalyzed cyanation of 4,5-dichlorophthalates
  作者：Benoît Tylleman、Rafael Gómez-Aspe、Gabin Gbabode、Yves Henry Geerts、Sergey Sergeyev

  DOI：10.1016/j.tet.2008.03.004

  日期：2008.5

  Dicyanophthalates 3 were synthesized via Pd-catalyzed two-fold cyanation of the corresponding 4,5-dichlorophthalates with Zn(CN)(2), Appropriate modification of reaction conditions allowed one-pot synthesis of the corresponding zinc phthalocyanines 7 bearing eight peripheral alkyl ester groups. Powder X-ray diffraction study of a mesogenic zinc phthalocyanine bearing branched alkyl substituents revealed a rare case of a transition between two columnar rectangular liquid crystalline mesophases with different symmetry. (c) 2008 Elsevier Ltd. All rights reserved.